CID 106148

67923-59-5

Structural Information

Molecular Formula
C14H14N4O6S
SMILES
COC1=C(C=CC(=C1)N=NC2=CC=C(C=C2)[N+](=O)[O-])NCS(=O)(=O)O
InChI
InChI=1S/C14H14N4O6S/c1-24-14-8-11(4-7-13(14)15-9-25(21,22)23)17-16-10-2-5-12(6-3-10)18(19)20/h2-8,15H,9H2,1H3,(H,21,22,23)
InChIKey
VJFQNWRXTBMSKV-UHFFFAOYSA-N
Compound name
[2-methoxy-4-[(4-nitrophenyl)diazenyl]anilino]methanesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.06342 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.07070 175.6
[M+Na]+ 389.05264 180.4
[M-H]- 365.05614 183.5
[M+NH4]+ 384.09724 186.4
[M+K]+ 405.02658 173.4
[M+H-H2O]+ 349.06068 170.5
[M+HCOO]- 411.06162 199.3
[M+CH3COO]- 425.07727 213.5
[M+Na-2H]- 387.03809 184.7
[M]+ 366.06287 178.0
[M]- 366.06397 178.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.